2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate

C11H22O4 — CID 89246504

IUPAC2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
SMILESCC(C)C(C)(C)C(=O)OCCOCCO
InChIInChI=1S/C11H22O4/c1-9(2)11(3,4)10(13)15-8-7-14-6-5-12/h9,12H,5-8H2,1-4H3
InChIKeyACBIXWQBUPXBPI-UHFFFAOYSA-N
MW218.29 g/mol
LogP1.22
Rot. Bonds7

About 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate

2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate (PubChem CID 89246504) has the molecular formula C11H22O4 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
PubChem CID89246504
Molecular FormulaC11H22O4
Molecular Weight218.29 g/mol
Exact Mass218.15
IUPAC Name2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate
SMILESCC(C)C(C)(C)C(=O)OCCOCCO
InChIInChI=1S/C11H22O4/c1-9(2)11(3,4)10(13)15-8-7-14-6-5-12/h9,12H,5-8H2,1-4H3
InChIKeyACBIXWQBUPXBPI-UHFFFAOYSA-N
XLogP1.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-(2-hydroxyethoxy)ethyl 3-hydroxy-2,2-dimethylpropanoate
CID 18552285
2-(2-hydroxyethoxy)ethyl (2S)-2-aminopropanoate
CID 131864159
2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl 3,5,5-trimethylhexanoate
CID 89103547
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylbutanoate
CID 58473820
2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl acetate
CID 91699049
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
CID 87550777
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl N-tert-butylcarbamate
CID 129320050
2-[2-(2-hydroxyethoxy)ethoxy]ethyl acetate;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 87238354
bis[2-(2-hydroxyethoxy)ethyl] 2,3-dihydroxybutanedioate
CID 175191375
[1-(2-hydroxyethoxy)-2-methylpropan-2-yl] carbamate
CID 87715215

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate?
The IUPAC name of 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate (CID 89246504) is 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate.
What is the SMILES notation for 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate?
The canonical SMILES for 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate is CC(C)C(C)(C)C(=O)OCCOCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate?
The InChIKey is ACBIXWQBUPXBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O4/c1-9(2)11(3,4)10(13)15-8-7-14-6-5-12/h9,12H,5-8H2,1-4H3.
What are the key properties of 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate?
2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate has a molecular weight of 218.29 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)ethyl 2,2,3-trimethylbutanoate is sourced from PubChem (CID 89246504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).